| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | BRAF | BRAF_HUMAN | 2FB8A | P15056 | 449 | 720 | 766.0 | 215:102 | Type1 | Inactive | DFGin | 6.4899 | 14.2472 | BLAminus | -146.27, -176.88 | 62.65, 94.56 | -116.52, 20.29 | 274.9, 82.58 | -45.53, -44.52 | in-in | in | 8.8846 | Saltbr-in | 2.9188 | HRD-in | -63.2, -49.5 | 66.34, 11.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0934 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 14.21 | APE9-dihe-na | 115.89, -169.69 | APE8-dihe-in | -101.37, 114.44 | APE8-rot-in | 279.54 | APE67-dihe-in | -65.73, -0.43 | -52.43, -50.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.6854 | APE9-dist-in | 5.9578 | None | None | None | XRAY | 2.9 | 0.203 | 0.291 | A | 281.0 | 259.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 2fb8 | TKL_BRAF_HUMAN | TKL | 7.9e-82 | 280.7 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 2FB8B | P15056 | 449 | 720 | 766.0 | 215:101 | Type1 | Inactive | DFGin | 6.4785 | 14.1482 | BLAminus | -111.07, -173.65 | 45.12, 91.89 | -99.34, 30.47 | 289.04, 74.24 | -44.77, -52.25 | in-in | in | 8.6694 | Saltbr-in | 3.2145 | HRD-in | -70.79, -48.1 | 71.94, -5.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0361 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnio | APE10-dihe-na | 999.0, 56.52 | APE9-dihe-na | 105.86, -135.38 | APE8-dihe-in | -106.43, 95.16 | APE8-rot-in | 246.18 | APE67-dihe-in | -77.85, -8.64 | -35.19, -42.15 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.872 | APE9-dist-out | 6.8336 | None | None | None | XRAY | 2.9 | 0.203 | 0.291 | B | 281.0 | 259.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 2fb8 | TKL_BRAF_HUMAN | TKL | 7.9e-82 | 280.7 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | BRAF | BRAF_HUMAN | 2FB8A | P15056 | 449 | 720 | 766.0 | 215:102 | Type1 | Inactive | DFGin | 6.4899 | 14.2472 | BLAminus | -146.27, -176.88 | 62.65, 94.56 | -116.52, 20.29 | 274.9, 82.58 | -45.53, -44.52 | in-in | in | 8.8846 | Saltbr-in | 2.9188 | HRD-in | -63.2, -49.5 | 66.34, 11.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0934 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 14.21 | APE9-dihe-na | 115.89, -169.69 | APE8-dihe-in | -101.37, 114.44 | APE8-rot-in | 279.54 | APE67-dihe-in | -65.73, -0.43 | -52.43, -50.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.6854 | APE9-dist-in | 5.9578 | None | None | None | XRAY | 2.9 | 0.203 | 0.291 | A | 281.0 | 259.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 2fb8 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.9e-82 | 280.7 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| TKL | BRAF | BRAF_HUMAN | 2FB8B | P15056 | 449 | 720 | 766.0 | 215:101 | Type1 | Inactive | DFGin | 6.4785 | 14.1482 | BLAminus | -111.07, -173.65 | 45.12, 91.89 | -99.34, 30.47 | 289.04, 74.24 | -44.77, -52.25 | in-in | in | 8.6694 | Saltbr-in | 3.2145 | HRD-in | -70.79, -48.1 | 71.94, -5.57 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0361 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnio | APE10-dihe-na | 999.0, 56.52 | APE9-dihe-na | 105.86, -135.38 | APE8-dihe-in | -106.43, 95.16 | APE8-rot-in | 246.18 | APE67-dihe-in | -77.85, -8.64 | -35.19, -42.15 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.872 | APE9-dist-out | 6.8336 | None | None | None | XRAY | 2.9 | 0.203 | 0.291 | B | 281.0 | 259.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 2fb8 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.9e-82 | 280.7 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|